| SpectraBase Spectrum ID |
ERVhBaQJOPO |
| Name |
N-(Iodoacetyl)-gly-phe-o-(T-bu) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.070252225 u |
| Formula |
C17H23IN2O4 |
| InChI |
InChI=1S/C17H23IN2O4/c1-17(2,3)24-16(23)13(9-12-7-5-4-6-8-12)20-15(22)11-19-14(21)10-18/h4-8,13H,9-11H2,1-3H3,(H,19,21)(H,20,22) |
| InChIKey |
DCAMIOWNFKPHKI-UHFFFAOYSA-N |
| Molecular Weight |
446.285 g/mol |
| SMILES |
C(C(NC(=O)CNC(=O)CI)CC1=CC=CC=C1)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898532 |
